UCSF

ZINC37016906

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 5.4 -49.65 4 5 1 83 344.229 7
Hi High (pH 8-9.5) 2.70 5.1 -6.63 3 5 0 81 343.221 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )